p-Xylylene diisocyanate
TL;DR: p-Xylylene diisocyanate (CAS 1014-98-8) is a chemical compound with molecular formula C10H8N2O2 and molecular weight 188.05858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-bis(isocyanatomethyl)benzene
Also Known As: p-Xylylene isocyanate, p-Xylyleneisocyanate, p-xylylene diisocyanate, p-xylene diisocyanate, p-xylylenediisocyanate
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H8N2O2 |
| Molecular Weight | 188.05858 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 188.05858 Da |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
| SMILES | C1=CC(=CC=C1CN=C=O)CN=C=O |
| InChIKey | OHLKMGYGBHFODF-UHFFFAOYSA-N |
Chemical Property Profile of p-Xylylene diisocyanate
Property Insights of p-Xylylene diisocyanate
The XLogP value of 3.4 indicates that p-Xylylene diisocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, p-Xylylene diisocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Xylylene diisocyanate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of p-Xylylene diisocyanate?
The CAS number of p-Xylylene diisocyanate is 1014-98-8.
What is the molecular formula of p-Xylylene diisocyanate?
The molecular formula of p-Xylylene diisocyanate is C10H8N2O2.
What is the molecular weight of p-Xylylene diisocyanate?
The molecular weight of p-Xylylene diisocyanate is 188.05858 g/mol.
Where can I buy p-Xylylene diisocyanate?
You can request a quote for p-Xylylene diisocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for p-Xylylene diisocyanate?
Yes, CoreyChem provides custom synthesis services for p-Xylylene diisocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.